name total energy Backbone Hbon Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds SHO1_1QKX-13_1.PDB 26.19000 -43.00000 -20.05000 -66.81000 -3.16000 89.15000 -82.62000 19.87000 38.53000 95.84000 0.00000 0.00000 0.00000 3.15000 15.45000 0.00000 -3.05000 0.00000 -1.65000 0.00000 0.00000 65.00000 SHO1_1QKX-13_2.PDB 25.75000 -43.20000 -20.11000 -66.51000 -3.03000 87.82000 -82.24000 19.84000 38.86000 95.85000 0.00000 0.00000 0.00000 3.11000 15.45000 0.00000 -3.08000 0.00000 -1.57000 0.00000 0.00000 65.00000 SHO1_1QKX-13_3.PDB 25.97000 -41.40000 -19.59000 -66.92000 -3.59000 88.89000 -82.45000 19.58000 38.49000 93.93000 0.00000 0.00000 0.00000 3.31000 15.45000 0.00000 -2.55000 0.00000 -1.75000 0.00000 0.00000 65.00000 SHO1_1QKX-13_4.PDB 27.27000 -41.35000 -19.13000 -67.99000 -3.96000 91.10000 -83.55000 18.98000 38.86000 94.89000 0.00000 0.00000 0.00000 3.15000 15.45000 0.00000 -2.78000 0.00000 -0.95000 0.00000 0.00000 65.00000 SHO1_1QKX-13_5.PDB 28.99000 -42.91000 -19.90000 -65.78000 -2.26000 88.55000 -81.71000 19.72000 38.39000 95.52000 0.00000 0.00000 0.00000 3.01000 15.39000 0.00000 -2.26000 0.00000 -1.38000 0.00000 0.00000 65.00000 SHO1_1QKX-13_6.PDB 28.39000 -42.78000 -19.49000 -68.09000 -4.03000 91.19000 -83.62000 19.56000 39.19000 96.13000 0.00000 0.00000 0.00000 3.96000 15.66000 0.00000 -2.55000 0.00000 -1.08000 0.00000 0.00000 65.00000 SHO1_1QKX-13_7.PDB 28.02000 -42.96000 -21.82000 -67.25000 -3.58000 91.49000 -82.47000 20.07000 40.00000 96.91000 0.00000 0.00000 0.00000 2.95000 15.52000 0.00000 -3.26000 0.00000 -2.05000 0.00000 0.00000 65.00000 SHO1_1QKX-13_8.PDB 26.19000 -41.45000 -17.27000 -66.18000 -3.54000 86.99000 -81.87000 19.26000 37.25000 94.68000 0.00000 0.00000 0.00000 2.97000 15.52000 0.00000 -2.98000 0.00000 -1.67000 0.00000 0.00000 65.00000 SHO1_1QKX-13_9.PDB 29.78000 -43.03000 -21.20000 -67.86000 -3.18000 90.57000 -83.40000 22.86000 39.23000 96.39000 0.00000 0.00000 0.00000 3.06000 15.81000 0.00000 -2.47000 0.00000 -1.19000 0.00000 0.00000 65.00000 SHO1_1QKX-13_10.PDB 28.52000 -44.20000 -20.49000 -67.17000 -4.12000 90.14000 -82.50000 21.31000 40.58000 97.31000 0.00000 0.00000 0.00000 2.93000 15.98000 0.00000 -3.12000 0.00000 -2.15000 0.00000 0.00000 65.00000 SHO1_1QKX-13_11.PDB 27.60000 -42.83000 -19.88000 -66.83000 -3.08000 89.44000 -82.33000 18.55000 39.00000 96.28000 0.00000 0.00000 0.00000 3.22000 15.32000 0.00000 -2.47000 0.00000 -1.45000 0.00000 0.00000 65.00000 SHO1_1QKX-13_12.PDB 26.65000 -43.64000 -19.35000 -67.62000 -2.68000 89.01000 -83.06000 20.33000 38.64000 95.79000 0.00000 0.00000 0.00000 3.10000 15.56000 0.00000 -2.60000 0.00000 -1.27000 0.00000 0.00000 65.00000 SHO1_1QKX-13_13.PDB 29.90000 -42.45000 -19.24000 -67.68000 -3.91000 91.41000 -83.09000 20.47000 39.47000 95.84000 0.00000 0.00000 0.00000 2.89000 15.51000 0.00000 -2.58000 0.00000 -1.24000 0.00000 0.00000 65.00000 SHO1_1QKX-13_14.PDB 27.21000 -43.60000 -21.42000 -67.26000 -2.45000 88.82000 -82.56000 20.59000 39.07000 96.07000 0.00000 0.00000 0.00000 3.52000 15.44000 0.00000 -2.48000 0.00000 -1.08000 0.00000 0.00000 65.00000 SHO1_1QKX-13_15.PDB 26.73000 -42.71000 -19.75000 -66.28000 -3.62000 88.01000 -81.90000 20.07000 37.98000 95.86000 0.00000 0.00000 0.00000 3.03000 15.60000 0.00000 -2.13000 0.00000 -1.84000 0.00000 0.00000 65.00000 SHO1_1QKX-13_16.PDB 25.69000 -41.95000 -19.03000 -66.72000 -3.20000 88.31000 -82.38000 18.35000 38.21000 95.49000 0.00000 0.00000 0.00000 3.12000 15.34000 0.00000 -2.91000 0.00000 -1.61000 0.00000 0.00000 65.00000 SHO1_1QKX-13_17.PDB 28.64000 -41.84000 -18.39000 -67.37000 -3.92000 90.35000 -83.10000 19.39000 38.41000 95.77000 0.00000 0.00000 0.00000 2.92000 15.53000 0.00000 -2.38000 0.00000 -1.21000 0.00000 0.00000 65.00000 SHO1_1QKX-13_18.PDB 27.29000 -42.85000 -18.37000 -67.36000 -3.44000 89.57000 -83.20000 19.66000 39.33000 95.68000 0.00000 0.00000 0.00000 2.94000 15.47000 0.00000 -2.70000 0.00000 -1.97000 0.00000 0.00000 65.00000 SHO1_1QKX-13_19.PDB 28.84000 -42.35000 -19.74000 -67.98000 -3.95000 91.93000 -83.45000 20.05000 39.30000 95.74000 0.00000 0.00000 0.00000 2.94000 15.65000 0.00000 -2.42000 0.00000 -1.24000 0.00000 0.00000 65.00000 SHO1_1QKX-13_20.PDB 26.39000 -43.47000 -22.08000 -67.51000 -2.95000 89.90000 -83.19000 20.43000 38.62000 97.13000 0.00000 0.00000 0.00000 3.36000 15.61000 0.00000 -2.46000 0.00000 -1.39000 0.00000 0.00000 65.00000 SHO1_1QKX-13_21.PDB 27.71000 -42.76000 -18.12000 -66.83000 -2.81000 88.02000 -82.53000 19.36000 38.69000 96.36000 0.00000 0.00000 0.00000 3.03000 15.51000 0.00000 -3.00000 0.00000 -1.71000 0.00000 0.00000 65.00000 SHO1_1QKX-13_22.PDB 28.59000 -42.80000 -18.62000 -68.61000 -3.91000 91.93000 -84.43000 19.32000 39.84000 96.62000 0.00000 0.00000 0.00000 3.15000 15.56000 0.00000 -2.74000 0.00000 -1.16000 0.00000 0.00000 65.00000 SHO1_1QKX-13_23.PDB 25.84000 -42.55000 -20.86000 -66.50000 -3.52000 88.94000 -81.94000 18.86000 38.80000 95.67000 0.00000 0.00000 0.00000 3.19000 15.33000 0.00000 -2.57000 0.00000 -1.69000 0.00000 0.00000 65.00000 SHO1_1QKX-13_24.PDB 29.14000 -42.99000 -20.30000 -67.00000 -3.48000 89.70000 -82.69000 22.02000 39.24000 96.36000 0.00000 0.00000 0.00000 2.97000 15.76000 0.00000 -3.02000 0.00000 -1.68000 0.00000 0.00000 65.00000 SHO1_1QKX-13_25.PDB 27.85000 -42.77000 -18.90000 -67.64000 -4.18000 91.27000 -83.26000 19.39000 39.23000 95.55000 0.00000 0.00000 0.00000 3.07000 15.60000 0.00000 -2.74000 0.00000 -1.17000 0.00000 0.00000 65.00000 SHO1_1QKX-13_26.PDB 26.61000 -41.94000 -21.29000 -66.86000 -3.07000 89.15000 -82.25000 19.28000 39.15000 95.01000 0.00000 0.00000 0.00000 3.31000 15.37000 0.00000 -2.26000 0.00000 -1.64000 0.00000 0.00000 65.00000 SHO1_1QKX-13_27.PDB 25.64000 -42.85000 -21.20000 -68.05000 -3.49000 91.15000 -82.80000 19.72000 40.06000 94.82000 0.00000 0.00000 0.00000 3.34000 15.45000 0.00000 -3.07000 0.00000 -1.98000 0.00000 0.00000 65.00000 SHO1_1QKX-13_28.PDB 25.19000 -42.15000 -19.16000 -67.41000 -3.64000 89.60000 -82.75000 19.85000 38.75000 93.85000 0.00000 0.00000 0.00000 3.26000 15.43000 0.00000 -2.99000 0.00000 -2.03000 0.00000 0.00000 65.00000 SHO1_1QKX-13_29.PDB 24.74000 -42.27000 -20.25000 -67.65000 -3.34000 89.39000 -83.26000 20.01000 38.23000 95.16000 0.00000 0.00000 0.00000 3.27000 15.39000 0.00000 -2.81000 0.00000 -1.75000 0.00000 0.00000 65.00000 SHO1_1QKX-13_30.PDB 25.09000 -42.23000 -21.60000 -67.16000 -3.05000 89.16000 -82.49000 19.93000 38.66000 94.87000 0.00000 0.00000 0.00000 3.35000 15.46000 0.00000 -2.90000 0.00000 -1.44000 0.00000 0.00000 65.00000